N-benzyl-4-methyl-6-morpholin-4-ylpyrimidin-2-amine

C16H20N4O — CID 721057

IUPACN-benzyl-4-methyl-6-morpholin-4-ylpyrimidin-2-amine
SMILESCc1cc(N2CCOCC2)nc(NCc2ccccc2)n1
InChIInChI=1S/C16H20N4O/c1-13-11-15(20-7-9-21-10-8-20)19-16(18-13)17-12-14-5-3-2-4-6-14/h2-6,11H,7-10,12H2,1H3,(H,17,18,19)
InChIKeySYFZLTOPWKTKAX-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.23
Rot. Bonds4

About N-benzyl-4-methyl-6-morpholin-4-ylpyrimidin-2-amine

N-benzyl-4-methyl-6-morpholin-4-ylpyrimidin-2-amine (PubChem CID 721057) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-benzyl-4-methyl-6-morpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-benzyl-4-methyl-6-morpholin-4-ylpyrimidin-2-amine
PubChem CID721057
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-benzyl-4-methyl-6-morpholin-4-ylpyrimidin-2-amine
SMILESCc1cc(N2CCOCC2)nc(NCc2ccccc2)n1
InChIInChI=1S/C16H20N4O/c1-13-11-15(20-7-9-21-10-8-20)19-16(18-13)17-12-14-5-3-2-4-6-14/h2-6,11H,7-10,12H2,1H3,(H,17,18,19)
InChIKeySYFZLTOPWKTKAX-UHFFFAOYSA-N
XLogP2.23
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-6-morpholin-4-ylpyrimidin-2-amine?
The IUPAC name of N-benzyl-4-methyl-6-morpholin-4-ylpyrimidin-2-amine (CID 721057) is N-benzyl-4-methyl-6-morpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for N-benzyl-4-methyl-6-morpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for N-benzyl-4-methyl-6-morpholin-4-ylpyrimidin-2-amine is Cc1cc(N2CCOCC2)nc(NCc2ccccc2)n1.
What is the InChIKey of N-benzyl-4-methyl-6-morpholin-4-ylpyrimidin-2-amine?
The InChIKey is SYFZLTOPWKTKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-13-11-15(20-7-9-21-10-8-20)19-16(18-13)17-12-14-5-3-2-4-6-14/h2-6,11H,7-10,12H2,1H3,(H,17,18,19).
What are the key properties of N-benzyl-4-methyl-6-morpholin-4-ylpyrimidin-2-amine?
N-benzyl-4-methyl-6-morpholin-4-ylpyrimidin-2-amine has a molecular weight of 284.36 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-6-morpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 721057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).